National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 20August 2019
NIST Standard Reference Database 101
IIntroduction
IIExperimental data
IIICalculated data
IVData comparisons
VCost comparisons
VIInput and output files
VIITutorials and Units
VIIILinks to other sites
IXFeedback
XOlder CCCBDB versions
XIIGeometries
XIII Vibrations
XIVReaction data
XVEntropy data
XVIBibliographic data
XVIIIon data
XVIIIBad calculations
XIXIndex of properties
XXH-bond dimers
XXIOddities

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II.B.3. (XII.A.3.)

Experimental bond lengths

This table lists coordinate descriptions and how many of that type of coordinate are in the CCCBDB.
"=" indicates a double bond. "#" indicates a triple bond. Click on the description for a list of that type.
descriptionCount descriptionCount descriptionCount descriptionCount
rAlAl 1 rAlBr 1 rAlCl 4 rAlF 2
rAlH 5 rAlO 1 rAlP 9 rAlS 1
rArAr 1 rArH 1 rAsAs 2 rAsH 2
rBB 8 rBBr 2 rBC 2 rBCl 4
rBeBe 1 rBeCl 2 rBeF 2 rBeH 2
rBeO 1 rBeS 1 rBF 4 rBH 13
rBN 3 rBO 3 rBP 1 rBrBr 1
rBrI 1 rBrO 1 rBS 2 rCaBr 1
rCaH 1 rCAl 1 rCBr 15 rCC 449
rCCa 1 rCCl 61 rCF 52 rCFe 1
rCGe 1 rCH 449 rCI 3 rClAs 1
rClBr 1 rClCa 1 rClCl 4 rClGa 2
rClGe 2 rClI 1 rClO 5 rClTi 1
rCN 91 rCO 134 rCP 4 rCS 32
rCSe 7 rCSi 2 rCuCl 1 rCuCu 1
rCuF 1 rCuH 1 rCuO 1 rCZn 1
rDCl 1 rDD 1 rDF 1 rDH 1
rDO 1 rDS 1 rFAs 1 rFBr 5
rFCa 1 rFCl 8 rFF 5 rFGa 2
rFGe 5 rFI 1 rFMg 1 rFO 5
rFP 7 rFS 8 rFSc 1 rFSi 4
rGaAs 1 rGaH 1 rGeH 3 rHB 6
rHBr 4 rHC 20 rHCl 4 rHCr 1
rHeHe 1 rHF 4 rHH 1 rHI 1
rHN 11 rHP 1 rHS 7 rHTi 1
rHZn 2 rII 1 rKBr 1 rKCl 1
rKF 1 rKH 1 rKK 1 rLiBr 1
rLiCl 4 rLiF 1 rLiH 1 rLiK 1
rLiLi 1 rLiNa 1 rLiO 3 rLiS 1
rMgCl 2 rMgF 1 rMgH 4 rMgMg 1
rMgO 2 rMgS 1 rNaBr 1 rNaCl 2
rNaF 1 rNaH 1 rNaK 1 rNAl 1
rNaNa 1 rNaO 1 rNAs 2 rNBr 2
rNCl 4 rNeNe 4 rNF 9 rNH 42
rNN 15 rNO 50 rNS 7 rNSe 1
rO=Ti 1 rOBr 1 rOCa 2 rOCl 6
rOF 1 rOGa 1 rOH 47 rOK 1
rON 1 rOO 20 rOP 2 rOS 8
rOSc 1 rPBr 2 rPCl 6 rPF 1
rPGa 16 rPH 17 rPN 1 rPO 7
rPP 6 rPS 1 rSCa 1 rScH 1
rSCl 8 rSD 1 rSeH 3 rSeO 3
rSeSe 1 rSF 5 rSH 22 rSiBr 6
rSiC 3 rSiCl 7 rSiF 4 rSiH 20
rSiN 1 rSiO 1 rSiP 1 rSiS 1
rSiSe 1 rSiSi 2 rSO 14 rSS 17
rSSe 1 rSZn 1 rTiCl 1 rVO 1
rZnC 1 rZnH 3